Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e5cfcdcc0cc34d0413817cff9817808",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.897,
"b": 96.492,
"c": 57.923,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.960,1.650],
"number_observations": 184190,
"number_observations_unique": 28040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 5731,
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.826
},
{
"type": "R(meas)",
"value": 0.917
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [28.960,9.040],
"number_observations": 1253,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 58.300
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}